N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C16H22N2O4 — CID 46253321

IUPACN-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOC(CNC(=O)c1ccc(C)c(N2CCCC2=O)c1)OC
InChIInChI=1S/C16H22N2O4/c1-11-6-7-12(16(20)17-10-15(21-2)22-3)9-13(11)18-8-4-5-14(18)19/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyTZSPHHCXHUUAPE-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.47
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46253321) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46253321
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOC(CNC(=O)c1ccc(C)c(N2CCCC2=O)c1)OC
InChIInChI=1S/C16H22N2O4/c1-11-6-7-12(16(20)17-10-15(21-2)22-3)9-13(11)18-8-4-5-14(18)19/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyTZSPHHCXHUUAPE-UHFFFAOYSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 46253321) is N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is COC(CNC(=O)c1ccc(C)c(N2CCCC2=O)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is TZSPHHCXHUUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-6-7-12(16(20)17-10-15(21-2)22-3)9-13(11)18-8-4-5-14(18)19/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,17,20).
What are the key properties of N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 306.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46253321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).